CID 16004280

924855-67-4

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3CCNCC3
InChI
InChI=1S/C21H28N2O/c1-17-2-4-20(5-3-17)16-24-21-8-6-18(7-9-21)14-23-15-19-10-12-22-13-11-19/h2-9,19,22-23H,10-16H2,1H3
InChIKey
WBNXAOHQUDYELA-UHFFFAOYSA-N
Compound name
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

324.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 183.2
[M+Na]+ 347.20937 196.1
[M+NH4]+ 342.25397 191.4
[M+K]+ 363.18331 186.6
[M-H]- 323.21287 189.8
[M+Na-2H]- 345.19482 192.1
[M]+ 324.21960 186.9
[M]- 324.22070 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe